1-butyl-2,3-bis(fluoranyl)-4-[4-(4-prop-1-ynylphenyl)phenyl]benzene

Systemtic Name: 1-butyl-2,3-bis(fluoranyl)-4-[4-(4-prop-1-ynylphenyl)phenyl]benzene Openeye Name: 1-butyl-2,3-difluoro-4-[4-(4-prop-1-ynylphenyl)phenyl]benzene CAS Name: 1-butyl-2,3-difluoro-4-[4-(4-prop-1-ynylphenyl)phenyl]benzene IUPAC Name: 1-butyl-2,3-difluoro-4-[4-(4-prop-1-ynylphenyl)phenyl]benzene Traditional Name: 1-butyl-2,3-difluoro-4-[4-(4-prop-1-ynylphenyl)phenyl]benzene Formula: C25H22F2 MolecularWeight: 360.438986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#CC)F)F

Isomeric SMILES

CCCCC1=C(C(=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#CC)F)F

InChI

InChI=1S/C25H22F2/c1-3-5-7-22-16-17-23(25(27)24(22)26)21-14-12-20(13-15-21)19-10-8-18(6-4-2)9-11-19/h8-17H,3,5,7H2,1-2H3